(3-amino-2-bicyclo[2.2.1]heptanyl)-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone

C13H19F3N2O2 — CID 119800771

IUPAC(3-amino-2-bicyclo[2.2.1]heptanyl)-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone
SMILESNC1C2CCC(C2)C1C(=O)N1CCC(O)(C(F)(F)F)C1
InChIInChI=1S/C13H19F3N2O2/c14-13(15,16)12(20)3-4-18(6-12)11(19)9-7-1-2-8(5-7)10(9)17/h7-10,20H,1-6,17H2
InChIKeyPQZNOSCDKKPDDL-UHFFFAOYSA-N
MW292.30 g/mol
LogP0.89
Rot. Bonds1

About (3-amino-2-bicyclo[2.2.1]heptanyl)-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone

(3-amino-2-bicyclo[2.2.1]heptanyl)-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone (PubChem CID 119800771) has the molecular formula C13H19F3N2O2 and a molecular weight of 292.30 g/mol. Its IUPAC name is (3-amino-2-bicyclo[2.2.1]heptanyl)-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3-amino-2-bicyclo[2.2.1]heptanyl)-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone
PubChem CID119800771
Molecular FormulaC13H19F3N2O2
Molecular Weight292.30 g/mol
Exact Mass292.14
IUPAC Name(3-amino-2-bicyclo[2.2.1]heptanyl)-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone
SMILESNC1C2CCC(C2)C1C(=O)N1CCC(O)(C(F)(F)F)C1
InChIInChI=1S/C13H19F3N2O2/c14-13(15,16)12(20)3-4-18(6-12)11(19)9-7-1-2-8(5-7)10(9)17/h7-10,20H,1-6,17H2
InChIKeyPQZNOSCDKKPDDL-UHFFFAOYSA-N
XLogP0.89
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3-amino-2-bicyclo[2.2.1]heptanyl)-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone with MolForge

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Related Compounds

3-amino-N-ethyl-N-(2,2,2-trifluoroethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 64377095
3-amino-N-butyl-N-(2,2,2-trifluoroethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 64378033
3-amino-N-methyl-N-(2,2,2-trifluoroethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 64378216
3-amino-N-propyl-N-(2,2,2-trifluoroethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 64378223
3-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 64378802
3-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 64378803
3-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 64378808
3-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 64379389
3-amino-N-methyl-N-(3,3,3-trifluoropropyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 65537190
2-[(3-Aminobicyclo[2.2.1]heptane-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258173
3-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 107479333
3-amino-N-(3,3,3-trifluoro-2-hydroxypropyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 113266365

Frequently Asked Questions

What is the IUPAC name of (3-amino-2-bicyclo[2.2.1]heptanyl)-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (3-amino-2-bicyclo[2.2.1]heptanyl)-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone (CID 119800771) is (3-amino-2-bicyclo[2.2.1]heptanyl)-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (3-amino-2-bicyclo[2.2.1]heptanyl)-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (3-amino-2-bicyclo[2.2.1]heptanyl)-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone is NC1C2CCC(C2)C1C(=O)N1CCC(O)(C(F)(F)F)C1.
What is the InChIKey of (3-amino-2-bicyclo[2.2.1]heptanyl)-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone?
The InChIKey is PQZNOSCDKKPDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O2/c14-13(15,16)12(20)3-4-18(6-12)11(19)9-7-1-2-8(5-7)10(9)17/h7-10,20H,1-6,17H2.
What are the key properties of (3-amino-2-bicyclo[2.2.1]heptanyl)-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone?
(3-amino-2-bicyclo[2.2.1]heptanyl)-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone has a molecular weight of 292.30 g/mol, XLogP of 0.89, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2-bicyclo[2.2.1]heptanyl)-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 119800771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).